methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(pyridin-3-ylmethyl)amino]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(pyridin-3-ylmethyl)amino]pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(3-pyridylmethyl)amino]pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(3-pyridinylmethyl)amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-[methylsulfonyl(pyridin-3-ylmethyl)amino]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-[mesyl(3-pyridylmethyl)amino]-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N(CC3=CN=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)N(CC3=CN=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O7S2/c1-29-17-6-8-18(9-7-17)32(27,28)23-14-16(11-19(23)20(24)30-2)22(31(3,25)26)13-15-5-4-10-21-12-15/h4-10,12,16,19H,11,13-14H2,1-3H3/t16-,19+/m0/s1